SCHEMBL1461124

SCHEMBL1461124

COC(=N)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ BAZ2B Q9UIF8 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MC4R P32245 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ MC3R P41968 1/20 0.45
▸ RAB9A P51151 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18973908 0.79 NPC1 (0.47) KDM4ENAPRTHCAR2BAZ2BADORA3
Hydrochloric Acid SCHEMBL2554139 0.77 NPC1 (0.46) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL14903392 0.76 — —
SCHEMBL108950 0.75 KDM4E (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL29651938 0.75 KDM4E (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
Hydrochloric Acid SCHEMBL30529579 0.73 KDM4E (0.55) KDM4ENAPRTHCAR2ADORA3TSHR
Hydrochloric Acid SCHEMBL27902568 0.73 KDM4E (0.55) KDM4ENAPRTHCAR2ADORA3TSHR
Hydrochloric Acid SCHEMBL29070148 0.73 KDM4E (0.55) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL4904135 0.72 BAZ2B (0.52) KDM4ENAPRTHCAR2BAZ2BADORA3
SCHEMBL640866 0.72 KDM4E (0.48) KDM4ENAPRTHCAR2BAZ2BADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041393-B1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2026-04-08 — — EP disclosed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 — — US disclosed
EP-4041393-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-08-17 — — EP disclosed
CN-114867529-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-08-05 — — CN disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 — — WO disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 — — US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 — — US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 — — EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 — — US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 — — EP disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 — — EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 — — US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 — — US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 — — US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R KDM4E 3823/4885NAPRT 4235/4885HCAR2 132/4885
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E KDM4E 2583/4885NAPRT 2642/4885HCAR2 96/4885
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 KDM4E 2788/4885NAPRT 3878/4885HCAR2 2227/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 KDM4E 3630/4885NAPRT 4150/4885HCAR2 157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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